![C30H30N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H30N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekuul gewicht | 546.57 | - |
| Smeltpunt (eksperiminteel) | 111-112 °C | Oplosmiddel: Ethyl acetate |
| Tichtheid (foarsein) | 1,343±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (foarsein) | 9,39±0,10 | Meast soere Temp: 25 °C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
Isomere SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
InChI Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Oare nammen foar dizze stof
5'-O-[bis(4-methoxyphenyl)phenylmethyl]uridine (ACI);Uridine, 5'-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI);5'-Dimethoxytrityl uridine;5'-O-(4,4'-Dimethoxytrityl)uridine
| Eigenskippen beskikber |
| Thermal |
Thermal
| Besit | Wearde | Betingst | Boarne | |
| Smeltpunt | 122-123 °C | (1) CAS | ||
| Smeltpunt | 111-112 °C | Oplosmiddel: | Ethyl acetate | (2) CAS |
| Smeltpunt | Sjoch folsleine tekst | (3) CAS | ||
(1) Zekri, Negar;Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao;Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali;Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus
Spectra beskikber
1H NMR
13C NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 904 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 904 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 904 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 904 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 904 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 904 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 900 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 861 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 602 | pH 9;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 156 | pH 10;Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 4550 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 4550 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 4550 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 4550 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 4550 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 4540 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 4520 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 4330 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 3030 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 785 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 4.17 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 4.02 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 3.43 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 4.192±0.628 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3,2 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massasolubiliteit | 3,3 x 10-4 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 4,8 x 10-4 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,9 x 10-3 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,2 x 10-4 g/L | Unbuffered wetter pH 6,99;Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 5,8 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,1 x 10-7 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,7 x 10-7 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,4 x 10-6 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,8 x 10-7 mol/L | Unbuffered wetter pH 6,99;Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 546.57 | ||
| pKa | 9,39±0,10 | Meast soere Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,343±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molar Volume | 406,9±3,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij draaibare obligaasjes | 11 | (1) ACD | |
| H Aksepteurs | 10 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor / Akseptor Sum | 13 | (1) ACD | |
| logP | 4.192±0.628 | Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molekuul gewicht | 546.57 | ||
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 127 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
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